3-[3-(chloromethyl)-5-methyl-heptan-3-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[3-(chloromethyl)-5-methyl-heptan-3-yl]-1H-pyridazin-6-one Openeye Name: 3-[1-(chloromethyl)-1-ethyl-3-methyl-pentyl]-1H-pyridazin-6-one CAS Name: 3-[3-(chloromethyl)-5-methylheptan-3-yl]-1H-pyridazin-6-one IUPAC Name: 3-[3-(chloromethyl)-5-methylheptan-3-yl]-1H-pyridazin-6-one Traditional Name: 3-[1-(chloromethyl)-1-ethyl-3-methyl-pentyl]-1H-pyridazin-6-one Formula: C13H21ClN2O MolecularWeight: 256.77164

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)(CCl)C1=NNC(=O)C=C1

Isomeric SMILES

CCC(C)CC(CC)(CCl)C1=NNC(=O)C=C1

InChI

InChI=1S/C13H21ClN2O/c1-4-10(3)8-13(5-2,9-14)11-6-7-12(17)16-15-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17)